dimethyl 2-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzene-1,4-dicarboxylate CAS Name: 2-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate Traditional Name: 2-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H17NO6S2 MolecularWeight: 455.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C22H17NO6S2/c1-28-21(24)16-9-11-19(22(25)29-2)20(14-16)31(26,27)23-17-6-3-5-15(13-17)8-10-18-7-4-12-30-18/h3-7,9,11-14,23H,1-2H3